DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 10:47:54 UTC
Update Date	2025-03-24 20:54:09 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID01604376
Frequency	0.8
Structure
Chemical Formula	C₁₉H₂₉N₈O₂₂P₅
Molecular Mass	876.0084
SMILES	Nc1ccn(C2CC(OP(=O)(O)O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)O2)c(=O)n1
InChI Key	DBLQGKPOCMUPLJ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	nucleosides, nucleotides, and analogues
Class	ribonucleoside 3'-phosphates
Subclass	ribonucleoside 3'-phosphates
Direct Parent	ribonucleoside 3'-phosphates
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1,2-diols azacyclic compounds heteroaromatic compounds hydrocarbon derivatives imidazoles imidolactams monoalkyl phosphates monosaccharides n-substituted imidazoles organic carbonic acids and derivatives organic oxides organopnictogen compounds oxacyclic compounds pentose phosphates primary amines purine ribonucleoside monophosphates purines and purine derivatives pyrimidine deoxyribonucleoside 3',5'-bisphosphates pyrimidones secondary alcohols tetrahydrofurans
Substituents	pentose phosphate purine ribonucleoside monophosphate monosaccharide pentose-5-phosphate pyrimidone imidazopyrimidine pyrimidine pyrimidine deoxyribonucleoside 3',5'-bisphosphate saccharide organic oxide aromatic heteropolycyclic compound imidazole organonitrogen compound organopnictogen compound imidolactam organoheterocyclic compound azole 1,2-diol n-substituted imidazole ribonucleoside 3'-phosphate alcohol carbonic acid derivative azacycle tetrahydrofuran heteroaromatic compound oxacycle organic oxygen compound pyrimidine deoxyribonucleoside bisphosphate phosphoric acid ester monoalkyl phosphate secondary alcohol hydrocarbon derivative purine primary amine organic nitrogen compound organic phosphoric acid derivative amine alkyl phosphate organooxygen compound

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